methyl-(phenylmethyl)-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: benzyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: benzyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=C(N=N1)C(=O)N2CCSCC2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCN1C=C(N=N1)C(=O)N2CCSCC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H23N5OS/c1-20(13-15-5-3-2-4-6-15)7-8-22-14-16(18-19-22)17(23)21-9-11-24-12-10-21/h2-6,14H,7-13H2,1H3/p+1